CID 82623635

Tert-butyl 3-(1-amino-2-hydroxypropan-2-yl)piperidine-1-carboxylate

Structural Information

Molecular Formula
C13H26N2O3
SMILES
CC(C)(C)OC(=O)N1CCCC(C1)C(C)(CN)O
InChI
InChI=1S/C13H26N2O3/c1-12(2,3)18-11(16)15-7-5-6-10(8-15)13(4,17)9-14/h10,17H,5-9,14H2,1-4H3
InChIKey
JIBIFMUBOQYMBV-UHFFFAOYSA-N
Compound name
tert-butyl 3-(1-amino-2-hydroxypropan-2-yl)piperidine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.19434 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.20162 163.9
[M+Na]+ 281.18356 167.2
[M-H]- 257.18706 163.3
[M+NH4]+ 276.22816 178.4
[M+K]+ 297.15750 166.1
[M+H-H2O]+ 241.19160 158.1
[M+HCOO]- 303.19254 177.2
[M+CH3COO]- 317.20819 195.1
[M+Na-2H]- 279.16901 166.0
[M]+ 258.19379 160.1
[M]- 258.19489 160.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.